USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -63:sc= 1.3 USER MOD Set 1.2: A 57 SER OG : rot -80:sc= 0.356 USER MOD Set 2.1: A 25 ASN : amide:sc= 0.974 K(o=3.5,f=-8.4!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -178:sc= 2.56 (180deg=1.25) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -148:sc= 0.12 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 2.27 (180deg=1.98) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00599 USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 0.8 (180deg=0.632) USER MOD Single : A 14 THR OG1 : rot -90:sc= 0.123 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 22 THR OG1 : rot 46:sc= 0.935 USER MOD Single : A 27 LYS NZ :NH3+ 140:sc= -0.0104 (180deg=-0.37!) USER MOD Single : A 31 GLN : amide:sc= -0.1 K(o=-0.1,f=-0.87) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.35 K(o=1.3,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 155:sc= 1.22 (180deg=0.748) USER MOD Single : A 49 GLN : amide:sc= 0.959 K(o=0.96,f=-6.2!) USER MOD Single : A 59 TYR OH : rot -178:sc= 1.2 USER MOD Single : A 60 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.16) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0358) USER MOD Single : A 65 SER OG : rot 94:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.418 51.781 20.126 1.00 0.00 N ATOM 2 CA MET A 1 32.733 52.036 21.540 1.00 0.00 C ATOM 3 C MET A 1 34.202 52.434 21.690 1.00 0.00 C ATOM 4 O MET A 1 35.068 51.851 21.042 1.00 0.00 O ATOM 5 CB MET A 1 32.356 50.871 22.451 1.00 0.00 C ATOM 6 CG MET A 1 33.193 49.611 22.248 1.00 0.00 C ATOM 7 SD MET A 1 32.752 48.269 23.380 1.00 0.00 S ATOM 8 CE MET A 1 34.052 47.090 22.939 1.00 0.00 C ATOM 0 H1 MET A 1 31.389 51.678 20.013 1.00 0.00 H new ATOM 0 H2 MET A 1 32.753 52.577 19.547 1.00 0.00 H new ATOM 0 H3 MET A 1 32.889 50.907 19.818 1.00 0.00 H new ATOM 0 HA MET A 1 32.116 52.872 21.869 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.452 51.192 23.488 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.307 50.625 22.289 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.073 49.265 21.221 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.246 49.858 22.381 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.944 46.187 23.540 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.969 46.835 21.883 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.028 47.537 23.128 1.00 0.00 H new ATOM 20 N GLN A 2 34.487 53.388 22.572 1.00 0.00 N ATOM 21 CA GLN A 2 35.835 53.826 22.872 1.00 0.00 C ATOM 22 C GLN A 2 36.492 52.927 23.922 1.00 0.00 C ATOM 23 O GLN A 2 35.854 52.586 24.916 1.00 0.00 O ATOM 24 CB GLN A 2 35.783 55.293 23.290 1.00 0.00 C ATOM 25 CG GLN A 2 37.170 55.903 23.472 1.00 0.00 C ATOM 26 CD GLN A 2 37.115 57.395 23.804 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.321 58.256 22.953 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.827 57.758 25.051 1.00 0.00 N ATOM 0 H GLN A 2 33.771 53.883 23.104 1.00 0.00 H new ATOM 0 HA GLN A 2 36.465 53.742 21.986 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.236 55.862 22.538 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.226 55.381 24.223 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.693 55.376 24.270 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.750 55.758 22.560 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.655 57.047 25.762 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.778 58.747 25.296 1.00 0.00 H new ATOM 37 N ILE A 3 37.758 52.572 23.724 1.00 0.00 N ATOM 38 CA ILE A 3 38.586 51.836 24.658 1.00 0.00 C ATOM 39 C ILE A 3 39.982 52.452 24.770 1.00 0.00 C ATOM 40 O ILE A 3 40.347 53.308 23.967 1.00 0.00 O ATOM 41 CB ILE A 3 38.672 50.352 24.309 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.388 50.086 22.988 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.296 49.695 24.353 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.828 48.635 22.818 1.00 0.00 C ATOM 0 H ILE A 3 38.254 52.804 22.863 1.00 0.00 H new ATOM 0 HA ILE A 3 38.102 51.911 25.632 1.00 0.00 H new ATOM 0 HB ILE A 3 39.290 49.888 25.078 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.727 50.356 22.164 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.262 50.733 22.921 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.389 48.639 24.100 1.00 0.00 H new ATOM 0 HG22 ILE A 3 36.878 49.793 25.355 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.637 50.183 23.635 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.330 48.517 21.858 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.514 48.366 23.621 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.955 47.983 22.853 1.00 0.00 H new ATOM 56 N PHE A 4 40.789 51.984 25.717 1.00 0.00 N ATOM 57 CA PHE A 4 42.135 52.460 25.963 1.00 0.00 C ATOM 58 C PHE A 4 43.152 51.320 26.039 1.00 0.00 C ATOM 59 O PHE A 4 42.818 50.197 26.407 1.00 0.00 O ATOM 60 CB PHE A 4 42.157 53.295 27.242 1.00 0.00 C ATOM 61 CG PHE A 4 41.030 54.289 27.377 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.958 55.399 26.526 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.043 54.108 28.353 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.907 56.316 26.643 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.004 55.035 28.490 1.00 0.00 C ATOM 66 CZ PHE A 4 38.929 56.134 27.628 1.00 0.00 C ATOM 0 H PHE A 4 40.509 51.237 26.353 1.00 0.00 H new ATOM 0 HA PHE A 4 42.430 53.082 25.117 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.131 52.621 28.098 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.103 53.834 27.290 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.719 55.548 25.774 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.084 53.247 29.004 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.851 57.162 25.975 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.260 54.902 29.261 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.118 56.841 27.722 1.00 0.00 H new ATOM 76 N VAL A 5 44.415 51.610 25.740 1.00 0.00 N ATOM 77 CA VAL A 5 45.524 50.688 25.879 1.00 0.00 C ATOM 78 C VAL A 5 46.683 51.388 26.591 1.00 0.00 C ATOM 79 O VAL A 5 47.109 52.456 26.155 1.00 0.00 O ATOM 80 CB VAL A 5 45.982 50.117 24.541 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.974 48.976 24.750 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.832 49.584 23.690 1.00 0.00 C ATOM 0 H VAL A 5 44.697 52.523 25.384 1.00 0.00 H new ATOM 0 HA VAL A 5 45.180 49.843 26.475 1.00 0.00 H new ATOM 0 HB VAL A 5 46.447 50.950 24.014 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.287 48.584 23.782 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.845 49.346 25.291 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.499 48.182 25.327 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.225 49.192 22.752 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.319 48.788 24.229 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.130 50.391 23.480 1.00 0.00 H new ATOM 92 N LYS A 6 47.195 50.809 27.674 1.00 0.00 N ATOM 93 CA LYS A 6 48.297 51.319 28.464 1.00 0.00 C ATOM 94 C LYS A 6 49.547 50.455 28.280 1.00 0.00 C ATOM 95 O LYS A 6 49.436 49.232 28.227 1.00 0.00 O ATOM 96 CB LYS A 6 47.844 51.434 29.916 1.00 0.00 C ATOM 97 CG LYS A 6 48.867 52.144 30.798 1.00 0.00 C ATOM 98 CD LYS A 6 48.282 52.461 32.172 1.00 0.00 C ATOM 99 CE LYS A 6 49.233 53.306 33.014 1.00 0.00 C ATOM 100 NZ LYS A 6 49.167 54.733 32.666 1.00 0.00 N ATOM 0 H LYS A 6 46.830 49.928 28.037 1.00 0.00 H new ATOM 0 HA LYS A 6 48.582 52.315 28.125 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.899 51.975 29.956 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.657 50.437 30.314 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.751 51.517 30.912 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.190 53.066 30.315 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.337 52.990 32.051 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.062 51.531 32.696 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.990 53.180 34.069 1.00 0.00 H new ATOM 0 HE3 LYS A 6 50.253 52.947 32.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 50.101 55.168 32.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.884 54.835 31.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.469 55.207 33.275 1.00 0.00 H new ATOM 114 N THR A 7 50.719 51.074 28.170 1.00 0.00 N ATOM 115 CA THR A 7 51.976 50.402 27.909 1.00 0.00 C ATOM 116 C THR A 7 53.126 50.898 28.787 1.00 0.00 C ATOM 117 O THR A 7 53.126 52.019 29.291 1.00 0.00 O ATOM 118 CB THR A 7 52.322 50.460 26.424 1.00 0.00 C ATOM 119 OG1 THR A 7 53.314 49.503 26.129 1.00 0.00 O ATOM 120 CG2 THR A 7 52.791 51.816 25.906 1.00 0.00 C ATOM 0 H THR A 7 50.817 52.085 28.264 1.00 0.00 H new ATOM 0 HA THR A 7 51.835 49.357 28.186 1.00 0.00 H new ATOM 0 HB THR A 7 51.381 50.254 25.915 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.532 49.542 25.174 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.009 51.743 24.841 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.008 52.557 26.066 1.00 0.00 H new ATOM 0 HG23 THR A 7 53.691 52.118 26.441 1.00 0.00 H new ATOM 128 N LEU A 8 54.130 50.041 28.952 1.00 0.00 N ATOM 129 CA LEU A 8 55.180 50.099 29.948 1.00 0.00 C ATOM 130 C LEU A 8 56.126 51.296 29.842 1.00 0.00 C ATOM 131 O LEU A 8 56.709 51.696 30.848 1.00 0.00 O ATOM 132 CB LEU A 8 55.946 48.780 29.886 1.00 0.00 C ATOM 133 CG LEU A 8 55.107 47.528 30.122 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.911 46.284 29.758 1.00 0.00 C ATOM 135 CD2 LEU A 8 54.656 47.366 31.571 1.00 0.00 C ATOM 0 H LEU A 8 54.232 49.229 28.343 1.00 0.00 H new ATOM 0 HA LEU A 8 54.700 50.246 30.916 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.421 48.700 28.908 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.745 48.807 30.627 1.00 0.00 H new ATOM 0 HG LEU A 8 54.224 47.642 29.494 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.304 45.395 29.930 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.197 46.330 28.707 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.807 46.236 30.376 1.00 0.00 H new ATOM 0 HD21 LEU A 8 54.064 46.456 31.668 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.530 47.301 32.219 1.00 0.00 H new ATOM 0 HD23 LEU A 8 54.051 48.225 31.862 1.00 0.00 H new ATOM 147 N THR A 9 56.215 51.950 28.688 1.00 0.00 N ATOM 148 CA THR A 9 56.883 53.223 28.498 1.00 0.00 C ATOM 149 C THR A 9 56.128 54.425 29.068 1.00 0.00 C ATOM 150 O THR A 9 56.434 55.574 28.758 1.00 0.00 O ATOM 151 CB THR A 9 57.284 53.453 27.044 1.00 0.00 C ATOM 152 OG1 THR A 9 56.203 53.205 26.173 1.00 0.00 O ATOM 153 CG2 THR A 9 58.444 52.564 26.607 1.00 0.00 C ATOM 0 H THR A 9 55.805 51.588 27.827 1.00 0.00 H new ATOM 0 HA THR A 9 57.795 53.146 29.090 1.00 0.00 H new ATOM 0 HB THR A 9 57.593 54.497 26.988 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.486 53.361 25.248 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.687 52.770 25.565 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.314 52.769 27.230 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.160 51.517 26.714 1.00 0.00 H new ATOM 161 N GLY A 10 55.129 54.197 29.916 1.00 0.00 N ATOM 162 CA GLY A 10 54.347 55.215 30.589 1.00 0.00 C ATOM 163 C GLY A 10 53.286 55.892 29.719 1.00 0.00 C ATOM 164 O GLY A 10 52.772 56.941 30.100 1.00 0.00 O ATOM 0 H GLY A 10 54.834 53.252 30.160 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.855 54.764 31.451 1.00 0.00 H new ATOM 0 HA3 GLY A 10 55.024 55.979 30.971 1.00 0.00 H new ATOM 168 N LYS A 11 52.967 55.327 28.558 1.00 0.00 N ATOM 169 CA LYS A 11 52.046 55.880 27.585 1.00 0.00 C ATOM 170 C LYS A 11 50.689 55.175 27.629 1.00 0.00 C ATOM 171 O LYS A 11 50.637 53.960 27.801 1.00 0.00 O ATOM 172 CB LYS A 11 52.697 55.867 26.204 1.00 0.00 C ATOM 173 CG LYS A 11 51.887 56.623 25.155 1.00 0.00 C ATOM 174 CD LYS A 11 52.636 56.762 23.831 1.00 0.00 C ATOM 175 CE LYS A 11 51.762 57.528 22.842 1.00 0.00 C ATOM 176 NZ LYS A 11 52.462 57.805 21.579 1.00 0.00 N ATOM 0 H LYS A 11 53.363 54.434 28.263 1.00 0.00 H new ATOM 0 HA LYS A 11 51.832 56.919 27.835 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.692 56.307 26.273 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.827 54.835 25.880 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.944 56.103 24.983 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.640 57.614 25.535 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.579 57.287 23.985 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.881 55.778 23.432 1.00 0.00 H new ATOM 0 HE2 LYS A 11 50.859 56.952 22.636 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.445 58.468 23.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.788 58.188 20.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.219 58.498 21.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.875 56.924 21.210 1.00 0.00 H new ATOM 190 N THR A 12 49.605 55.919 27.428 1.00 0.00 N ATOM 191 CA THR A 12 48.260 55.401 27.269 1.00 0.00 C ATOM 192 C THR A 12 47.623 55.979 26.004 1.00 0.00 C ATOM 193 O THR A 12 47.681 57.187 25.792 1.00 0.00 O ATOM 194 CB THR A 12 47.394 55.682 28.494 1.00 0.00 C ATOM 195 OG1 THR A 12 48.041 55.266 29.674 1.00 0.00 O ATOM 196 CG2 THR A 12 46.059 54.945 28.446 1.00 0.00 C ATOM 0 H THR A 12 49.647 56.937 27.370 1.00 0.00 H new ATOM 0 HA THR A 12 48.326 54.318 27.168 1.00 0.00 H new ATOM 0 HB THR A 12 47.224 56.759 28.490 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.468 55.457 30.446 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.482 55.179 29.340 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.502 55.258 27.563 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.238 53.871 28.401 1.00 0.00 H new ATOM 204 N ILE A 13 47.011 55.135 25.177 1.00 0.00 N ATOM 205 CA ILE A 13 46.414 55.473 23.900 1.00 0.00 C ATOM 206 C ILE A 13 44.928 55.111 23.858 1.00 0.00 C ATOM 207 O ILE A 13 44.485 54.237 24.600 1.00 0.00 O ATOM 208 CB ILE A 13 47.190 54.858 22.739 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.121 53.335 22.702 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.633 55.350 22.750 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.756 52.698 21.469 1.00 0.00 C ATOM 0 H ILE A 13 46.916 54.144 25.398 1.00 0.00 H new ATOM 0 HA ILE A 13 46.477 56.555 23.785 1.00 0.00 H new ATOM 0 HB ILE A 13 46.706 55.194 21.822 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.612 52.941 23.592 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.076 53.031 22.754 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.176 54.904 21.917 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.648 56.436 22.653 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.108 55.063 23.688 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.660 51.614 21.529 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.251 53.058 20.573 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.811 52.967 21.423 1.00 0.00 H new ATOM 223 N THR A 14 44.169 55.751 22.973 1.00 0.00 N ATOM 224 CA THR A 14 42.737 55.594 22.815 1.00 0.00 C ATOM 225 C THR A 14 42.389 55.031 21.436 1.00 0.00 C ATOM 226 O THR A 14 43.027 55.384 20.447 1.00 0.00 O ATOM 227 CB THR A 14 42.039 56.932 23.040 1.00 0.00 C ATOM 228 OG1 THR A 14 42.396 57.498 24.281 1.00 0.00 O ATOM 229 CG2 THR A 14 40.517 56.815 23.041 1.00 0.00 C ATOM 0 H THR A 14 44.561 56.426 22.316 1.00 0.00 H new ATOM 0 HA THR A 14 42.387 54.880 23.561 1.00 0.00 H new ATOM 0 HB THR A 14 42.364 57.558 22.209 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.774 57.189 24.972 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.077 57.798 23.205 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.182 56.423 22.081 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.205 56.140 23.838 1.00 0.00 H new ATOM 237 N LEU A 15 41.401 54.143 21.362 1.00 0.00 N ATOM 238 CA LEU A 15 40.885 53.566 20.137 1.00 0.00 C ATOM 239 C LEU A 15 39.355 53.533 20.103 1.00 0.00 C ATOM 240 O LEU A 15 38.702 53.521 21.144 1.00 0.00 O ATOM 241 CB LEU A 15 41.452 52.168 19.908 1.00 0.00 C ATOM 242 CG LEU A 15 42.930 52.100 19.536 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.840 51.894 20.744 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.195 50.922 18.604 1.00 0.00 C ATOM 0 H LEU A 15 40.922 53.795 22.193 1.00 0.00 H new ATOM 0 HA LEU A 15 41.213 54.216 19.326 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.298 51.582 20.814 1.00 0.00 H new ATOM 0 HB3 LEU A 15 40.876 51.689 19.117 1.00 0.00 H new ATOM 0 HG LEU A 15 43.151 53.058 19.065 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.878 51.854 20.415 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.712 52.722 21.441 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.580 50.959 21.240 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.254 50.890 18.350 1.00 0.00 H new ATOM 0 HD22 LEU A 15 42.913 49.994 19.101 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.607 51.039 17.694 1.00 0.00 H new ATOM 256 N GLU A 16 38.779 53.477 18.906 1.00 0.00 N ATOM 257 CA GLU A 16 37.358 53.401 18.632 1.00 0.00 C ATOM 258 C GLU A 16 37.058 52.111 17.867 1.00 0.00 C ATOM 259 O GLU A 16 37.493 51.950 16.729 1.00 0.00 O ATOM 260 CB GLU A 16 36.941 54.666 17.888 1.00 0.00 C ATOM 261 CG GLU A 16 35.554 54.677 17.252 1.00 0.00 C ATOM 262 CD GLU A 16 34.410 54.568 18.263 1.00 0.00 C ATOM 263 OE1 GLU A 16 33.939 53.440 18.522 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.929 55.611 18.756 1.00 0.00 O ATOM 0 H GLU A 16 39.333 53.484 18.050 1.00 0.00 H new ATOM 0 HA GLU A 16 36.771 53.357 19.549 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.000 55.502 18.585 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.674 54.853 17.103 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.434 55.597 16.680 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.482 53.850 16.545 1.00 0.00 H new ATOM 271 N VAL A 17 36.369 51.174 18.513 1.00 0.00 N ATOM 272 CA VAL A 17 36.264 49.778 18.136 1.00 0.00 C ATOM 273 C VAL A 17 34.837 49.232 18.229 1.00 0.00 C ATOM 274 O VAL A 17 33.930 49.925 18.682 1.00 0.00 O ATOM 275 CB VAL A 17 37.206 48.913 18.967 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.667 49.331 18.830 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.836 48.895 20.448 1.00 0.00 C ATOM 0 H VAL A 17 35.842 51.386 19.360 1.00 0.00 H new ATOM 0 HA VAL A 17 36.557 49.731 17.087 1.00 0.00 H new ATOM 0 HB VAL A 17 37.088 47.908 18.561 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.291 48.681 19.443 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.973 49.249 17.787 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.783 50.363 19.162 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.540 48.264 20.991 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.876 49.909 20.845 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.827 48.499 20.566 1.00 0.00 H new ATOM 287 N GLU A 18 34.613 47.980 17.838 1.00 0.00 N ATOM 288 CA GLU A 18 33.361 47.272 18.009 1.00 0.00 C ATOM 289 C GLU A 18 33.510 46.033 18.893 1.00 0.00 C ATOM 290 O GLU A 18 34.549 45.380 18.833 1.00 0.00 O ATOM 291 CB GLU A 18 32.800 46.874 16.647 1.00 0.00 C ATOM 292 CG GLU A 18 32.164 48.042 15.899 1.00 0.00 C ATOM 293 CD GLU A 18 31.636 47.585 14.538 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.403 47.446 14.378 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.462 47.370 13.626 1.00 0.00 O ATOM 0 H GLU A 18 35.328 47.416 17.378 1.00 0.00 H new ATOM 0 HA GLU A 18 32.670 47.949 18.512 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.601 46.454 16.039 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.057 46.088 16.782 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.349 48.459 16.490 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.898 48.836 15.763 1.00 0.00 H new ATOM 302 N PRO A 19 32.495 45.635 19.656 1.00 0.00 N ATOM 303 CA PRO A 19 32.477 44.378 20.375 1.00 0.00 C ATOM 304 C PRO A 19 32.659 43.125 19.515 1.00 0.00 C ATOM 305 O PRO A 19 33.108 42.096 20.013 1.00 0.00 O ATOM 306 CB PRO A 19 31.124 44.315 21.076 1.00 0.00 C ATOM 307 CG PRO A 19 30.734 45.780 21.255 1.00 0.00 C ATOM 308 CD PRO A 19 31.339 46.432 20.015 1.00 0.00 C ATOM 0 HA PRO A 19 33.331 44.369 21.052 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.389 43.776 20.478 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.194 43.800 22.034 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.653 45.911 21.296 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.141 46.200 22.175 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.617 46.459 19.199 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.627 47.463 20.220 1.00 0.00 H new ATOM 316 N SER A 20 32.314 43.212 18.233 1.00 0.00 N ATOM 317 CA SER A 20 32.528 42.193 17.225 1.00 0.00 C ATOM 318 C SER A 20 33.947 42.147 16.654 1.00 0.00 C ATOM 319 O SER A 20 34.252 41.225 15.901 1.00 0.00 O ATOM 320 CB SER A 20 31.530 42.379 16.086 1.00 0.00 C ATOM 321 OG SER A 20 31.559 43.692 15.571 1.00 0.00 O ATOM 0 H SER A 20 31.854 44.041 17.856 1.00 0.00 H new ATOM 0 HA SER A 20 32.378 41.240 17.733 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.754 41.671 15.288 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.526 42.151 16.442 1.00 0.00 H new ATOM 0 HG SER A 20 30.908 43.772 14.843 1.00 0.00 H new ATOM 327 N ASP A 21 34.828 43.097 16.954 1.00 0.00 N ATOM 328 CA ASP A 21 36.160 43.134 16.385 1.00 0.00 C ATOM 329 C ASP A 21 37.106 42.127 17.041 1.00 0.00 C ATOM 330 O ASP A 21 36.887 41.703 18.174 1.00 0.00 O ATOM 331 CB ASP A 21 36.701 44.560 16.416 1.00 0.00 C ATOM 332 CG ASP A 21 37.841 44.801 15.425 1.00 0.00 C ATOM 333 OD1 ASP A 21 38.058 43.974 14.512 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.463 45.883 15.502 1.00 0.00 O ATOM 0 H ASP A 21 34.632 43.862 17.600 1.00 0.00 H new ATOM 0 HA ASP A 21 36.093 42.823 15.342 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.888 45.253 16.199 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.052 44.785 17.423 1.00 0.00 H new ATOM 339 N THR A 22 38.157 41.727 16.331 1.00 0.00 N ATOM 340 CA THR A 22 39.061 40.663 16.719 1.00 0.00 C ATOM 341 C THR A 22 40.448 41.166 17.127 1.00 0.00 C ATOM 342 O THR A 22 40.915 42.202 16.658 1.00 0.00 O ATOM 343 CB THR A 22 39.105 39.574 15.651 1.00 0.00 C ATOM 344 OG1 THR A 22 39.766 38.436 16.156 1.00 0.00 O ATOM 345 CG2 THR A 22 39.839 39.977 14.376 1.00 0.00 C ATOM 0 H THR A 22 38.406 42.154 15.439 1.00 0.00 H new ATOM 0 HA THR A 22 38.659 40.211 17.626 1.00 0.00 H new ATOM 0 HB THR A 22 38.062 39.381 15.399 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.430 38.235 17.054 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.824 39.147 13.670 1.00 0.00 H new ATOM 0 HG22 THR A 22 39.347 40.841 13.930 1.00 0.00 H new ATOM 0 HG23 THR A 22 40.872 40.231 14.615 1.00 0.00 H new ATOM 353 N ILE A 23 41.123 40.438 18.011 1.00 0.00 N ATOM 354 CA ILE A 23 42.225 40.976 18.782 1.00 0.00 C ATOM 355 C ILE A 23 43.477 41.196 17.930 1.00 0.00 C ATOM 356 O ILE A 23 44.163 42.203 18.090 1.00 0.00 O ATOM 357 CB ILE A 23 42.542 40.147 20.023 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.392 39.360 20.644 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.184 41.049 21.073 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.169 40.165 21.076 1.00 0.00 C ATOM 0 H ILE A 23 40.917 39.459 18.209 1.00 0.00 H new ATOM 0 HA ILE A 23 41.889 41.952 19.131 1.00 0.00 H new ATOM 0 HB ILE A 23 43.221 39.371 19.669 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.068 38.606 19.926 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.774 38.827 21.515 1.00 0.00 H new ATOM 0 HG21 ILE A 23 43.414 40.464 21.964 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.103 41.477 20.672 1.00 0.00 H new ATOM 0 HG23 ILE A 23 42.494 41.852 21.334 1.00 0.00 H new ATOM 0 HD11 ILE A 23 39.423 39.494 21.501 1.00 0.00 H new ATOM 0 HD12 ILE A 23 40.463 40.901 21.824 1.00 0.00 H new ATOM 0 HD13 ILE A 23 39.746 40.676 20.211 1.00 0.00 H new ATOM 372 N GLU A 24 43.727 40.340 16.944 1.00 0.00 N ATOM 373 CA GLU A 24 44.798 40.536 15.987 1.00 0.00 C ATOM 374 C GLU A 24 44.597 41.770 15.104 1.00 0.00 C ATOM 375 O GLU A 24 45.573 42.401 14.706 1.00 0.00 O ATOM 376 CB GLU A 24 45.035 39.272 15.166 1.00 0.00 C ATOM 377 CG GLU A 24 43.795 38.687 14.495 1.00 0.00 C ATOM 378 CD GLU A 24 44.164 37.479 13.632 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.028 37.558 12.392 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.644 36.460 14.175 1.00 0.00 O ATOM 0 H GLU A 24 43.187 39.489 16.790 1.00 0.00 H new ATOM 0 HA GLU A 24 45.702 40.735 16.562 1.00 0.00 H new ATOM 0 HB2 GLU A 24 45.775 39.492 14.396 1.00 0.00 H new ATOM 0 HB3 GLU A 24 45.468 38.512 15.816 1.00 0.00 H new ATOM 0 HG2 GLU A 24 43.071 38.390 15.254 1.00 0.00 H new ATOM 0 HG3 GLU A 24 43.316 39.448 13.878 1.00 0.00 H new ATOM 387 N ASN A 25 43.358 42.191 14.869 1.00 0.00 N ATOM 388 CA ASN A 25 43.071 43.440 14.192 1.00 0.00 C ATOM 389 C ASN A 25 43.332 44.649 15.091 1.00 0.00 C ATOM 390 O ASN A 25 43.859 45.662 14.635 1.00 0.00 O ATOM 391 CB ASN A 25 41.646 43.412 13.646 1.00 0.00 C ATOM 392 CG ASN A 25 41.499 44.436 12.518 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.516 45.643 12.745 1.00 0.00 O ATOM 394 ND2 ASN A 25 41.446 43.991 11.266 1.00 0.00 N ATOM 0 H ASN A 25 42.526 41.670 15.146 1.00 0.00 H new ATOM 0 HA ASN A 25 43.754 43.548 13.349 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.409 42.414 13.276 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.937 43.633 14.444 1.00 0.00 H new ATOM 0 HD21 ASN A 25 41.419 44.653 10.490 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.432 42.988 11.081 1.00 0.00 H new ATOM 401 N VAL A 26 43.057 44.543 16.387 1.00 0.00 N ATOM 402 CA VAL A 26 43.449 45.548 17.355 1.00 0.00 C ATOM 403 C VAL A 26 44.972 45.670 17.440 1.00 0.00 C ATOM 404 O VAL A 26 45.471 46.793 17.420 1.00 0.00 O ATOM 405 CB VAL A 26 42.813 45.319 18.723 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.233 46.371 19.746 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.292 45.371 18.617 1.00 0.00 C ATOM 0 H VAL A 26 42.554 43.753 16.792 1.00 0.00 H new ATOM 0 HA VAL A 26 43.064 46.504 16.999 1.00 0.00 H new ATOM 0 HB VAL A 26 43.155 44.339 19.055 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.752 46.161 20.702 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.316 46.345 19.871 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.931 47.359 19.397 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.853 45.206 19.601 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.987 46.348 18.243 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.948 44.596 17.932 1.00 0.00 H new ATOM 417 N LYS A 27 45.724 44.574 17.418 1.00 0.00 N ATOM 418 CA LYS A 27 47.170 44.607 17.326 1.00 0.00 C ATOM 419 C LYS A 27 47.649 45.323 16.061 1.00 0.00 C ATOM 420 O LYS A 27 48.562 46.142 16.130 1.00 0.00 O ATOM 421 CB LYS A 27 47.766 43.204 17.372 1.00 0.00 C ATOM 422 CG LYS A 27 47.685 42.509 18.729 1.00 0.00 C ATOM 423 CD LYS A 27 48.236 41.091 18.613 1.00 0.00 C ATOM 424 CE LYS A 27 48.472 40.488 19.995 1.00 0.00 C ATOM 425 NZ LYS A 27 48.570 39.021 19.916 1.00 0.00 N ATOM 0 H LYS A 27 45.338 43.631 17.464 1.00 0.00 H new ATOM 0 HA LYS A 27 47.518 45.169 18.193 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.256 42.585 16.634 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.812 43.261 17.072 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.253 43.071 19.471 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.651 42.481 19.073 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.537 40.469 18.054 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.171 41.104 18.052 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.388 40.896 20.423 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.657 40.767 20.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.321 38.688 20.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 47.663 38.597 20.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.795 38.740 18.940 1.00 0.00 H new ATOM 439 N ALA A 28 47.012 45.077 14.919 1.00 0.00 N ATOM 440 CA ALA A 28 47.329 45.760 13.681 1.00 0.00 C ATOM 441 C ALA A 28 47.022 47.258 13.727 1.00 0.00 C ATOM 442 O ALA A 28 47.809 48.054 13.219 1.00 0.00 O ATOM 443 CB ALA A 28 46.612 45.052 12.535 1.00 0.00 C ATOM 0 H ALA A 28 46.259 44.394 14.833 1.00 0.00 H new ATOM 0 HA ALA A 28 48.406 45.707 13.519 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.841 45.556 11.596 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.946 44.016 12.482 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.536 45.078 12.707 1.00 0.00 H new ATOM 449 N LYS A 29 45.957 47.682 14.401 1.00 0.00 N ATOM 450 CA LYS A 29 45.680 49.082 14.652 1.00 0.00 C ATOM 451 C LYS A 29 46.690 49.730 15.601 1.00 0.00 C ATOM 452 O LYS A 29 47.059 50.884 15.398 1.00 0.00 O ATOM 453 CB LYS A 29 44.248 49.269 15.145 1.00 0.00 C ATOM 454 CG LYS A 29 43.221 49.070 14.033 1.00 0.00 C ATOM 455 CD LYS A 29 41.815 49.487 14.453 1.00 0.00 C ATOM 456 CE LYS A 29 41.092 48.445 15.302 1.00 0.00 C ATOM 457 NZ LYS A 29 40.409 47.444 14.468 1.00 0.00 N ATOM 0 H LYS A 29 45.257 47.051 14.791 1.00 0.00 H new ATOM 0 HA LYS A 29 45.788 49.601 13.700 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.049 48.563 15.951 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.138 50.270 15.563 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.521 49.647 13.158 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.212 48.021 13.735 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.875 50.420 15.013 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.224 49.688 13.560 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.808 47.947 15.955 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.365 48.940 15.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.901 46.772 15.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.732 47.920 13.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 41.111 46.931 13.897 1.00 0.00 H new ATOM 471 N ILE A 30 47.205 49.013 16.596 1.00 0.00 N ATOM 472 CA ILE A 30 48.292 49.476 17.435 1.00 0.00 C ATOM 473 C ILE A 30 49.583 49.644 16.631 1.00 0.00 C ATOM 474 O ILE A 30 50.316 50.603 16.862 1.00 0.00 O ATOM 475 CB ILE A 30 48.445 48.569 18.653 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.233 48.693 19.573 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.717 48.877 19.438 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.104 47.568 20.595 1.00 0.00 C ATOM 0 H ILE A 30 46.870 48.081 16.841 1.00 0.00 H new ATOM 0 HA ILE A 30 48.052 50.470 17.814 1.00 0.00 H new ATOM 0 HB ILE A 30 48.516 47.547 18.281 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.289 49.644 20.102 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.330 48.720 18.963 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.786 48.208 20.296 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.585 48.733 18.795 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.690 49.910 19.784 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.218 47.733 21.208 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.014 46.614 20.076 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.988 47.553 21.233 1.00 0.00 H new ATOM 490 N GLN A 31 49.840 48.802 15.634 1.00 0.00 N ATOM 491 CA GLN A 31 50.942 48.988 14.712 1.00 0.00 C ATOM 492 C GLN A 31 50.797 50.261 13.875 1.00 0.00 C ATOM 493 O GLN A 31 51.779 50.979 13.705 1.00 0.00 O ATOM 494 CB GLN A 31 51.119 47.753 13.833 1.00 0.00 C ATOM 495 CG GLN A 31 52.425 47.819 13.048 1.00 0.00 C ATOM 496 CD GLN A 31 52.707 46.565 12.217 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.827 45.786 11.859 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.973 46.324 11.890 1.00 0.00 N ATOM 0 H GLN A 31 49.283 47.968 15.447 1.00 0.00 H new ATOM 0 HA GLN A 31 51.846 49.117 15.307 1.00 0.00 H new ATOM 0 HB2 GLN A 31 51.109 46.857 14.454 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.280 47.671 13.142 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.397 48.684 12.386 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.249 47.976 13.744 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.707 46.968 12.185 1.00 0.00 H new ATOM 0 HE22 GLN A 31 54.210 45.495 11.344 1.00 0.00 H new ATOM 507 N ASP A 32 49.601 50.594 13.397 1.00 0.00 N ATOM 508 CA ASP A 32 49.342 51.860 12.741 1.00 0.00 C ATOM 509 C ASP A 32 49.594 53.052 13.665 1.00 0.00 C ATOM 510 O ASP A 32 50.347 53.960 13.317 1.00 0.00 O ATOM 511 CB ASP A 32 47.923 51.860 12.181 1.00 0.00 C ATOM 512 CG ASP A 32 47.453 53.235 11.705 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.519 53.793 12.321 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.993 53.742 10.698 1.00 0.00 O ATOM 0 H ASP A 32 48.784 49.986 13.457 1.00 0.00 H new ATOM 0 HA ASP A 32 50.044 51.973 11.915 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.870 51.159 11.348 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.239 51.497 12.948 1.00 0.00 H new ATOM 519 N LYS A 33 49.008 53.041 14.859 1.00 0.00 N ATOM 520 CA LYS A 33 49.078 54.149 15.791 1.00 0.00 C ATOM 521 C LYS A 33 50.484 54.389 16.344 1.00 0.00 C ATOM 522 O LYS A 33 50.886 55.548 16.425 1.00 0.00 O ATOM 523 CB LYS A 33 48.064 53.967 16.917 1.00 0.00 C ATOM 524 CG LYS A 33 46.626 54.066 16.415 1.00 0.00 C ATOM 525 CD LYS A 33 45.598 53.890 17.528 1.00 0.00 C ATOM 526 CE LYS A 33 45.489 55.099 18.454 1.00 0.00 C ATOM 527 NZ LYS A 33 44.753 56.208 17.827 1.00 0.00 N ATOM 0 H LYS A 33 48.466 52.250 15.205 1.00 0.00 H new ATOM 0 HA LYS A 33 48.823 55.047 15.227 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.217 52.996 17.389 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.233 54.724 17.683 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.478 55.036 15.940 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.460 53.307 15.650 1.00 0.00 H new ATOM 0 HD2 LYS A 33 44.622 53.694 17.083 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.861 53.012 18.119 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.987 54.806 19.376 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.488 55.436 18.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.702 57.009 18.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.246 56.506 16.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 43.791 55.895 17.588 1.00 0.00 H new ATOM 541 N GLU A 34 51.234 53.352 16.705 1.00 0.00 N ATOM 542 CA GLU A 34 52.481 53.477 17.433 1.00 0.00 C ATOM 543 C GLU A 34 53.712 52.840 16.784 1.00 0.00 C ATOM 544 O GLU A 34 54.823 53.116 17.230 1.00 0.00 O ATOM 545 CB GLU A 34 52.297 52.935 18.847 1.00 0.00 C ATOM 546 CG GLU A 34 51.303 53.717 19.702 1.00 0.00 C ATOM 547 CD GLU A 34 51.686 55.184 19.904 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.887 55.517 20.004 1.00 0.00 O ATOM 549 OE2 GLU A 34 50.788 56.051 19.974 1.00 0.00 O ATOM 0 H GLU A 34 50.983 52.386 16.493 1.00 0.00 H new ATOM 0 HA GLU A 34 52.701 54.545 17.432 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.966 51.898 18.785 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.264 52.931 19.349 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.319 53.669 19.235 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.218 53.236 20.676 1.00 0.00 H new ATOM 556 N GLY A 35 53.575 52.009 15.755 1.00 0.00 N ATOM 557 CA GLY A 35 54.704 51.398 15.082 1.00 0.00 C ATOM 558 C GLY A 35 55.282 50.155 15.762 1.00 0.00 C ATOM 559 O GLY A 35 56.472 49.890 15.614 1.00 0.00 O ATOM 0 H GLY A 35 52.670 51.743 15.367 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.400 51.129 14.070 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.496 52.142 14.990 1.00 0.00 H new ATOM 563 N ILE A 36 54.470 49.407 16.505 1.00 0.00 N ATOM 564 CA ILE A 36 54.858 48.210 17.222 1.00 0.00 C ATOM 565 C ILE A 36 54.308 46.986 16.486 1.00 0.00 C ATOM 566 O ILE A 36 53.088 46.867 16.404 1.00 0.00 O ATOM 567 CB ILE A 36 54.386 48.259 18.672 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.833 49.528 19.391 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.900 47.034 19.421 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.224 49.719 20.777 1.00 0.00 C ATOM 0 H ILE A 36 53.483 49.634 16.624 1.00 0.00 H new ATOM 0 HA ILE A 36 55.945 48.142 17.252 1.00 0.00 H new ATOM 0 HB ILE A 36 53.296 48.263 18.658 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.919 49.514 19.484 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.577 50.389 18.774 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.561 47.072 20.456 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.517 46.130 18.947 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.990 47.023 19.396 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.597 50.645 21.214 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.138 49.768 20.694 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.501 48.880 21.415 1.00 0.00 H new ATOM 582 N PRO A 37 55.118 46.065 15.970 1.00 0.00 N ATOM 583 CA PRO A 37 54.635 44.905 15.248 1.00 0.00 C ATOM 584 C PRO A 37 53.750 43.975 16.079 1.00 0.00 C ATOM 585 O PRO A 37 54.029 43.777 17.260 1.00 0.00 O ATOM 586 CB PRO A 37 55.871 44.170 14.738 1.00 0.00 C ATOM 587 CG PRO A 37 56.926 45.271 14.657 1.00 0.00 C ATOM 588 CD PRO A 37 56.559 46.155 15.847 1.00 0.00 C ATOM 0 HA PRO A 37 53.987 45.237 14.437 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.173 43.372 15.417 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.693 43.711 13.766 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.937 44.873 14.741 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.875 45.815 13.714 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.052 45.812 16.757 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.875 47.185 15.682 1.00 0.00 H new ATOM 596 N PRO A 38 52.721 43.353 15.510 1.00 0.00 N ATOM 597 CA PRO A 38 51.757 42.550 16.235 1.00 0.00 C ATOM 598 C PRO A 38 52.355 41.305 16.893 1.00 0.00 C ATOM 599 O PRO A 38 51.879 40.886 17.945 1.00 0.00 O ATOM 600 CB PRO A 38 50.686 42.173 15.216 1.00 0.00 C ATOM 601 CG PRO A 38 51.449 42.182 13.894 1.00 0.00 C ATOM 602 CD PRO A 38 52.379 43.374 14.102 1.00 0.00 C ATOM 0 HA PRO A 38 51.356 43.124 17.071 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.256 41.194 15.427 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.864 42.888 15.212 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.998 41.255 13.728 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.789 42.319 13.038 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.270 43.291 13.480 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.887 44.308 13.831 1.00 0.00 H new ATOM 610 N ASP A 39 53.431 40.743 16.348 1.00 0.00 N ATOM 611 CA ASP A 39 54.139 39.622 16.935 1.00 0.00 C ATOM 612 C ASP A 39 55.037 40.016 18.110 1.00 0.00 C ATOM 613 O ASP A 39 55.473 39.147 18.862 1.00 0.00 O ATOM 614 CB ASP A 39 54.902 38.880 15.843 1.00 0.00 C ATOM 615 CG ASP A 39 56.054 39.716 15.279 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.792 40.637 14.475 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.217 39.450 15.650 1.00 0.00 O ATOM 0 H ASP A 39 53.838 41.064 15.470 1.00 0.00 H new ATOM 0 HA ASP A 39 53.400 38.950 17.371 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.295 37.946 16.246 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.217 38.616 15.037 1.00 0.00 H new ATOM 622 N GLN A 40 55.282 41.307 18.313 1.00 0.00 N ATOM 623 CA GLN A 40 55.964 41.849 19.471 1.00 0.00 C ATOM 624 C GLN A 40 55.001 42.203 20.605 1.00 0.00 C ATOM 625 O GLN A 40 55.436 42.308 21.750 1.00 0.00 O ATOM 626 CB GLN A 40 56.820 43.036 19.037 1.00 0.00 C ATOM 627 CG GLN A 40 57.773 43.516 20.128 1.00 0.00 C ATOM 628 CD GLN A 40 58.910 44.385 19.586 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.801 45.602 19.460 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.057 43.792 19.265 1.00 0.00 N ATOM 0 H GLN A 40 54.998 42.026 17.648 1.00 0.00 H new ATOM 0 HA GLN A 40 56.617 41.081 19.885 1.00 0.00 H new ATOM 0 HB2 GLN A 40 57.397 42.757 18.155 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.168 43.859 18.744 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.211 44.083 20.870 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.196 42.652 20.640 1.00 0.00 H new ATOM 0 HE21 GLN A 40 60.155 42.782 19.367 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.838 44.348 18.917 1.00 0.00 H new ATOM 639 N GLN A 41 53.713 42.372 20.320 1.00 0.00 N ATOM 640 CA GLN A 41 52.695 42.767 21.273 1.00 0.00 C ATOM 641 C GLN A 41 52.102 41.578 22.030 1.00 0.00 C ATOM 642 O GLN A 41 51.745 40.572 21.423 1.00 0.00 O ATOM 643 CB GLN A 41 51.558 43.492 20.557 1.00 0.00 C ATOM 644 CG GLN A 41 51.909 44.802 19.858 1.00 0.00 C ATOM 645 CD GLN A 41 50.706 45.358 19.095 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.574 45.332 19.576 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.867 45.861 17.873 1.00 0.00 N ATOM 0 H GLN A 41 53.341 42.231 19.381 1.00 0.00 H new ATOM 0 HA GLN A 41 53.185 43.423 21.993 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.137 42.814 19.815 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.773 43.695 21.285 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.246 45.532 20.594 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.737 44.639 19.169 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.796 45.893 17.453 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.061 46.214 17.357 1.00 0.00 H new ATOM 656 N ARG A 42 51.864 41.722 23.331 1.00 0.00 N ATOM 657 CA ARG A 42 51.013 40.868 24.133 1.00 0.00 C ATOM 658 C ARG A 42 49.955 41.716 24.845 1.00 0.00 C ATOM 659 O ARG A 42 50.316 42.698 25.487 1.00 0.00 O ATOM 660 CB ARG A 42 51.846 40.086 25.144 1.00 0.00 C ATOM 661 CG ARG A 42 52.664 38.957 24.523 1.00 0.00 C ATOM 662 CD ARG A 42 53.692 38.401 25.503 1.00 0.00 C ATOM 663 NE ARG A 42 53.076 37.960 26.755 1.00 0.00 N ATOM 664 CZ ARG A 42 53.528 38.189 27.995 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.721 38.724 28.288 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.747 37.893 29.044 1.00 0.00 N ATOM 0 H ARG A 42 52.283 42.476 23.875 1.00 0.00 H new ATOM 0 HA ARG A 42 50.511 40.152 23.482 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.521 40.773 25.655 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.183 39.668 25.902 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.996 38.157 24.203 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.172 39.324 23.631 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.216 37.563 25.042 1.00 0.00 H new ATOM 0 HD3 ARG A 42 54.439 39.165 25.717 1.00 0.00 H new ATOM 0 HE ARG A 42 52.213 37.422 26.675 1.00 0.00 H new ATOM 0 HH11 ARG A 42 55.359 38.989 27.538 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.991 38.866 29.261 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.819 37.498 28.893 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.081 38.063 29.993 1.00 0.00 H new ATOM 680 N LEU A 43 48.681 41.353 24.727 1.00 0.00 N ATOM 681 CA LEU A 43 47.562 42.100 25.263 1.00 0.00 C ATOM 682 C LEU A 43 46.860 41.348 26.396 1.00 0.00 C ATOM 683 O LEU A 43 46.521 40.174 26.255 1.00 0.00 O ATOM 684 CB LEU A 43 46.594 42.477 24.145 1.00 0.00 C ATOM 685 CG LEU A 43 47.153 43.432 23.094 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.141 43.603 21.966 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.452 44.818 23.659 1.00 0.00 C ATOM 0 H LEU A 43 48.397 40.503 24.239 1.00 0.00 H new ATOM 0 HA LEU A 43 47.950 43.020 25.701 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.268 41.564 23.646 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.709 42.931 24.591 1.00 0.00 H new ATOM 0 HG LEU A 43 48.084 42.992 22.738 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.543 44.285 21.217 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.942 42.635 21.506 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.214 44.011 22.368 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.847 45.456 22.868 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.535 45.255 24.054 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.188 44.734 24.459 1.00 0.00 H new ATOM 699 N ILE A 44 46.667 42.031 27.520 1.00 0.00 N ATOM 700 CA ILE A 44 46.251 41.463 28.786 1.00 0.00 C ATOM 701 C ILE A 44 45.081 42.252 29.376 1.00 0.00 C ATOM 702 O ILE A 44 45.067 43.481 29.337 1.00 0.00 O ATOM 703 CB ILE A 44 47.428 41.364 29.754 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.702 40.868 29.077 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.073 40.480 30.946 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.885 40.545 29.983 1.00 0.00 C ATOM 0 H ILE A 44 46.804 43.041 27.569 1.00 0.00 H new ATOM 0 HA ILE A 44 45.898 40.447 28.610 1.00 0.00 H new ATOM 0 HB ILE A 44 47.630 42.374 30.111 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.456 39.972 28.508 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.021 41.624 28.359 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.925 40.423 31.623 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.219 40.905 31.473 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.821 39.479 30.595 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.725 40.204 29.377 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.175 41.439 30.535 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.602 39.761 30.685 1.00 0.00 H new ATOM 718 N PHE A 45 44.098 41.549 29.932 1.00 0.00 N ATOM 719 CA PHE A 45 42.930 42.093 30.593 1.00 0.00 C ATOM 720 C PHE A 45 42.547 41.244 31.807 1.00 0.00 C ATOM 721 O PHE A 45 42.403 40.029 31.683 1.00 0.00 O ATOM 722 CB PHE A 45 41.791 42.141 29.578 1.00 0.00 C ATOM 723 CG PHE A 45 40.487 42.739 30.048 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.459 43.908 30.818 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.281 42.138 29.664 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.237 44.453 31.230 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.058 42.693 30.058 1.00 0.00 C ATOM 728 CZ PHE A 45 38.033 43.850 30.847 1.00 0.00 C ATOM 0 H PHE A 45 44.102 40.529 29.930 1.00 0.00 H new ATOM 0 HA PHE A 45 43.142 43.097 30.959 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.132 42.707 28.711 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.596 41.124 29.238 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.384 44.391 31.095 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.295 41.242 29.061 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.223 45.341 31.845 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.132 42.228 29.753 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.090 44.275 31.158 1.00 0.00 H new ATOM 738 N ALA A 46 42.382 41.851 32.980 1.00 0.00 N ATOM 739 CA ALA A 46 42.204 41.170 34.246 1.00 0.00 C ATOM 740 C ALA A 46 43.292 40.133 34.532 1.00 0.00 C ATOM 741 O ALA A 46 43.034 39.060 35.072 1.00 0.00 O ATOM 742 CB ALA A 46 40.770 40.659 34.351 1.00 0.00 C ATOM 0 H ALA A 46 42.369 42.867 33.071 1.00 0.00 H new ATOM 0 HA ALA A 46 42.343 41.883 35.059 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.635 40.146 35.303 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.079 41.500 34.290 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.570 39.965 33.534 1.00 0.00 H new ATOM 748 N GLY A 47 44.522 40.409 34.107 1.00 0.00 N ATOM 749 CA GLY A 47 45.653 39.507 34.191 1.00 0.00 C ATOM 750 C GLY A 47 45.587 38.283 33.275 1.00 0.00 C ATOM 751 O GLY A 47 46.516 37.478 33.266 1.00 0.00 O ATOM 0 H GLY A 47 44.761 41.303 33.679 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.559 40.066 33.958 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.746 39.164 35.221 1.00 0.00 H new ATOM 755 N LYS A 48 44.524 38.117 32.493 1.00 0.00 N ATOM 756 CA LYS A 48 44.360 37.070 31.506 1.00 0.00 C ATOM 757 C LYS A 48 44.817 37.579 30.136 1.00 0.00 C ATOM 758 O LYS A 48 44.499 38.703 29.755 1.00 0.00 O ATOM 759 CB LYS A 48 42.907 36.608 31.440 1.00 0.00 C ATOM 760 CG LYS A 48 42.188 36.258 32.740 1.00 0.00 C ATOM 761 CD LYS A 48 42.788 35.124 33.568 1.00 0.00 C ATOM 762 CE LYS A 48 43.852 35.550 34.575 1.00 0.00 C ATOM 763 NZ LYS A 48 43.296 36.316 35.702 1.00 0.00 N ATOM 0 H LYS A 48 43.719 38.742 32.537 1.00 0.00 H new ATOM 0 HA LYS A 48 44.973 36.217 31.797 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.333 37.392 30.946 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.869 35.730 30.795 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.153 37.153 33.362 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.157 35.996 32.500 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.983 34.621 34.104 1.00 0.00 H new ATOM 0 HD3 LYS A 48 43.225 34.391 32.889 1.00 0.00 H new ATOM 0 HE2 LYS A 48 44.358 34.664 34.958 1.00 0.00 H new ATOM 0 HE3 LYS A 48 44.605 36.153 34.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 43.920 36.219 36.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 43.224 37.319 35.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 42.351 35.951 35.937 1.00 0.00 H new ATOM 777 N GLN A 49 45.568 36.775 29.390 1.00 0.00 N ATOM 778 CA GLN A 49 46.050 37.126 28.068 1.00 0.00 C ATOM 779 C GLN A 49 44.995 36.819 27.003 1.00 0.00 C ATOM 780 O GLN A 49 44.318 35.796 27.063 1.00 0.00 O ATOM 781 CB GLN A 49 47.373 36.431 27.759 1.00 0.00 C ATOM 782 CG GLN A 49 48.447 36.716 28.804 1.00 0.00 C ATOM 783 CD GLN A 49 49.819 36.231 28.332 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.528 36.912 27.595 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.264 35.046 28.742 1.00 0.00 N ATOM 0 H GLN A 49 45.861 35.847 29.696 1.00 0.00 H new ATOM 0 HA GLN A 49 46.235 38.200 28.052 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.208 35.355 27.698 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.729 36.755 26.781 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.486 37.786 29.007 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.187 36.224 29.741 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.687 34.469 29.354 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.182 34.715 28.444 1.00 0.00 H new ATOM 794 N LEU A 50 44.879 37.704 26.016 1.00 0.00 N ATOM 795 CA LEU A 50 43.879 37.619 24.970 1.00 0.00 C ATOM 796 C LEU A 50 44.371 36.766 23.800 1.00 0.00 C ATOM 797 O LEU A 50 45.154 37.229 22.973 1.00 0.00 O ATOM 798 CB LEU A 50 43.489 39.028 24.529 1.00 0.00 C ATOM 799 CG LEU A 50 42.980 39.964 25.623 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.605 41.301 24.989 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.748 39.424 26.343 1.00 0.00 C ATOM 0 H LEU A 50 45.492 38.514 25.925 1.00 0.00 H new ATOM 0 HA LEU A 50 42.991 37.122 25.360 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.356 39.491 24.059 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.718 38.945 23.763 1.00 0.00 H new ATOM 0 HG LEU A 50 43.780 40.065 26.356 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.240 41.979 25.760 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.482 41.735 24.510 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.825 41.144 24.244 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.434 40.133 27.109 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.940 39.283 25.625 1.00 0.00 H new ATOM 0 HD23 LEU A 50 41.989 38.469 26.810 1.00 0.00 H new ATOM 813 N GLU A 51 43.900 35.526 23.700 1.00 0.00 N ATOM 814 CA GLU A 51 44.124 34.683 22.542 1.00 0.00 C ATOM 815 C GLU A 51 43.343 35.224 21.343 1.00 0.00 C ATOM 816 O GLU A 51 42.133 35.422 21.425 1.00 0.00 O ATOM 817 CB GLU A 51 43.756 33.238 22.867 1.00 0.00 C ATOM 818 CG GLU A 51 44.200 32.271 21.773 1.00 0.00 C ATOM 819 CD GLU A 51 43.962 30.821 22.198 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.827 30.316 22.063 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.904 30.164 22.692 1.00 0.00 O ATOM 0 H GLU A 51 43.347 35.079 24.431 1.00 0.00 H new ATOM 0 HA GLU A 51 45.181 34.697 22.276 1.00 0.00 H new ATOM 0 HB2 GLU A 51 44.217 32.951 23.812 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.677 33.161 23.002 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.653 32.479 20.854 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.257 32.422 21.556 1.00 0.00 H new ATOM 828 N ASP A 52 44.026 35.485 20.232 1.00 0.00 N ATOM 829 CA ASP A 52 43.540 36.340 19.168 1.00 0.00 C ATOM 830 C ASP A 52 42.450 35.745 18.275 1.00 0.00 C ATOM 831 O ASP A 52 41.858 36.477 17.486 1.00 0.00 O ATOM 832 CB ASP A 52 44.717 36.814 18.320 1.00 0.00 C ATOM 833 CG ASP A 52 45.834 37.461 19.142 1.00 0.00 C ATOM 834 OD1 ASP A 52 45.857 38.702 19.293 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.721 36.732 19.636 1.00 0.00 O ATOM 0 H ASP A 52 44.951 35.097 20.048 1.00 0.00 H new ATOM 0 HA ASP A 52 43.049 37.172 19.672 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.125 35.966 17.770 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.358 37.530 17.581 1.00 0.00 H new ATOM 840 N GLY A 53 42.115 34.464 18.403 1.00 0.00 N ATOM 841 CA GLY A 53 41.065 33.817 17.642 1.00 0.00 C ATOM 842 C GLY A 53 39.631 34.196 18.021 1.00 0.00 C ATOM 843 O GLY A 53 38.687 33.550 17.569 1.00 0.00 O ATOM 0 H GLY A 53 42.582 33.836 19.057 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.214 34.047 16.587 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.176 32.738 17.752 1.00 0.00 H new ATOM 847 N ARG A 54 39.438 35.195 18.876 1.00 0.00 N ATOM 848 CA ARG A 54 38.165 35.617 19.426 1.00 0.00 C ATOM 849 C ARG A 54 37.950 37.126 19.296 1.00 0.00 C ATOM 850 O ARG A 54 38.795 37.841 18.763 1.00 0.00 O ATOM 851 CB ARG A 54 38.033 35.068 20.844 1.00 0.00 C ATOM 852 CG ARG A 54 37.718 33.574 20.842 1.00 0.00 C ATOM 853 CD ARG A 54 37.450 33.002 22.232 1.00 0.00 C ATOM 854 NE ARG A 54 36.978 31.620 22.139 1.00 0.00 N ATOM 855 CZ ARG A 54 35.933 31.077 22.778 1.00 0.00 C ATOM 856 NH1 ARG A 54 35.262 31.719 23.745 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.508 29.840 22.484 1.00 0.00 N ATOM 0 H ARG A 54 40.214 35.761 19.220 1.00 0.00 H new ATOM 0 HA ARG A 54 37.347 35.195 18.842 1.00 0.00 H new ATOM 0 HB2 ARG A 54 38.959 35.244 21.391 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.245 35.606 21.371 1.00 0.00 H new ATOM 0 HG2 ARG A 54 36.847 33.396 20.211 1.00 0.00 H new ATOM 0 HG3 ARG A 54 38.553 33.036 20.392 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.361 33.041 22.829 1.00 0.00 H new ATOM 0 HD3 ARG A 54 36.706 33.612 22.745 1.00 0.00 H new ATOM 0 HE ARG A 54 37.502 31.002 21.520 1.00 0.00 H new ATOM 0 HH11 ARG A 54 35.542 32.660 24.021 1.00 0.00 H new ATOM 0 HH12 ARG A 54 34.472 31.266 24.204 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.982 29.296 21.763 1.00 0.00 H new ATOM 0 HH22 ARG A 54 34.711 29.443 22.981 1.00 0.00 H new ATOM 871 N THR A 55 36.781 37.600 19.719 1.00 0.00 N ATOM 872 CA THR A 55 36.356 38.983 19.633 1.00 0.00 C ATOM 873 C THR A 55 36.343 39.687 20.991 1.00 0.00 C ATOM 874 O THR A 55 36.427 39.036 22.029 1.00 0.00 O ATOM 875 CB THR A 55 35.000 39.122 18.947 1.00 0.00 C ATOM 876 OG1 THR A 55 33.970 38.541 19.715 1.00 0.00 O ATOM 877 CG2 THR A 55 34.975 38.503 17.552 1.00 0.00 C ATOM 0 H THR A 55 36.078 36.999 20.149 1.00 0.00 H new ATOM 0 HA THR A 55 37.104 39.482 19.017 1.00 0.00 H new ATOM 0 HB THR A 55 34.833 40.195 18.852 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.129 37.578 19.800 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.985 38.633 17.114 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.717 38.994 16.923 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.204 37.440 17.622 1.00 0.00 H new ATOM 885 N LEU A 56 36.223 41.013 21.008 1.00 0.00 N ATOM 886 CA LEU A 56 36.176 41.787 22.231 1.00 0.00 C ATOM 887 C LEU A 56 35.046 41.342 23.163 1.00 0.00 C ATOM 888 O LEU A 56 35.247 41.213 24.368 1.00 0.00 O ATOM 889 CB LEU A 56 36.055 43.273 21.904 1.00 0.00 C ATOM 890 CG LEU A 56 37.393 43.992 21.755 1.00 0.00 C ATOM 891 CD1 LEU A 56 38.156 43.591 20.496 1.00 0.00 C ATOM 892 CD2 LEU A 56 37.170 45.500 21.690 1.00 0.00 C ATOM 0 H LEU A 56 36.156 41.579 20.162 1.00 0.00 H new ATOM 0 HA LEU A 56 37.109 41.611 22.766 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.490 43.385 20.979 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.479 43.761 22.690 1.00 0.00 H new ATOM 0 HG LEU A 56 37.984 43.705 22.625 1.00 0.00 H new ATOM 0 HD11 LEU A 56 39.097 44.138 20.451 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.360 42.520 20.519 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.557 43.827 19.617 1.00 0.00 H new ATOM 0 HD21 LEU A 56 38.130 46.005 21.584 1.00 0.00 H new ATOM 0 HD22 LEU A 56 36.538 45.738 20.834 1.00 0.00 H new ATOM 0 HD23 LEU A 56 36.683 45.836 22.605 1.00 0.00 H new ATOM 904 N SER A 57 33.872 41.053 22.609 1.00 0.00 N ATOM 905 CA SER A 57 32.733 40.552 23.352 1.00 0.00 C ATOM 906 C SER A 57 32.959 39.165 23.958 1.00 0.00 C ATOM 907 O SER A 57 32.495 38.940 25.072 1.00 0.00 O ATOM 908 CB SER A 57 31.472 40.576 22.493 1.00 0.00 C ATOM 909 OG SER A 57 31.642 39.838 21.303 1.00 0.00 O ATOM 0 H SER A 57 33.688 41.165 21.612 1.00 0.00 H new ATOM 0 HA SER A 57 32.600 41.229 24.196 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.636 40.166 23.060 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.216 41.607 22.249 1.00 0.00 H new ATOM 0 HG SER A 57 32.131 40.380 20.649 1.00 0.00 H new ATOM 915 N ASP A 58 33.711 38.274 23.320 1.00 0.00 N ATOM 916 CA ASP A 58 34.085 36.991 23.882 1.00 0.00 C ATOM 917 C ASP A 58 34.964 37.110 25.129 1.00 0.00 C ATOM 918 O ASP A 58 35.082 36.154 25.892 1.00 0.00 O ATOM 919 CB ASP A 58 34.840 36.134 22.870 1.00 0.00 C ATOM 920 CG ASP A 58 34.063 35.727 21.616 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.066 34.980 21.719 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.505 36.090 20.505 1.00 0.00 O ATOM 0 H ASP A 58 34.081 38.431 22.383 1.00 0.00 H new ATOM 0 HA ASP A 58 33.140 36.523 24.157 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.732 36.677 22.559 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.178 35.228 23.373 1.00 0.00 H new ATOM 927 N TYR A 59 35.587 38.263 25.352 1.00 0.00 N ATOM 928 CA TYR A 59 36.430 38.563 26.492 1.00 0.00 C ATOM 929 C TYR A 59 35.819 39.554 27.484 1.00 0.00 C ATOM 930 O TYR A 59 36.513 39.989 28.400 1.00 0.00 O ATOM 931 CB TYR A 59 37.802 39.012 25.995 1.00 0.00 C ATOM 932 CG TYR A 59 38.614 37.891 25.393 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.042 36.847 26.221 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.984 37.920 24.043 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.831 35.814 25.700 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.801 36.912 23.516 1.00 0.00 C ATOM 937 CZ TYR A 59 40.216 35.850 24.344 1.00 0.00 C ATOM 938 OH TYR A 59 41.011 34.859 23.849 1.00 0.00 O ATOM 0 H TYR A 59 35.510 39.049 24.707 1.00 0.00 H new ATOM 0 HA TYR A 59 36.533 37.645 27.071 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.672 39.798 25.251 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.357 39.448 26.826 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.763 36.838 27.264 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.639 38.721 23.407 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.142 34.996 26.332 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.111 36.948 22.482 1.00 0.00 H new ATOM 0 HH TYR A 59 41.214 35.042 22.908 1.00 0.00 H new ATOM 948 N ASN A 60 34.543 39.902 27.347 1.00 0.00 N ATOM 949 CA ASN A 60 33.863 40.848 28.208 1.00 0.00 C ATOM 950 C ASN A 60 34.510 42.234 28.205 1.00 0.00 C ATOM 951 O ASN A 60 34.451 42.966 29.191 1.00 0.00 O ATOM 952 CB ASN A 60 33.649 40.186 29.567 1.00 0.00 C ATOM 953 CG ASN A 60 32.739 40.964 30.518 1.00 0.00 C ATOM 954 OD1 ASN A 60 33.192 41.556 31.494 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.427 40.942 30.296 1.00 0.00 N ATOM 0 H ASN A 60 33.944 39.521 26.615 1.00 0.00 H new ATOM 0 HA ASN A 60 32.872 41.086 27.821 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.226 39.194 29.410 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.618 40.047 30.045 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.793 41.418 30.938 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.055 40.449 29.484 1.00 0.00 H new ATOM 962 N ILE A 61 35.130 42.625 27.095 1.00 0.00 N ATOM 963 CA ILE A 61 35.704 43.941 26.900 1.00 0.00 C ATOM 964 C ILE A 61 34.578 44.893 26.489 1.00 0.00 C ATOM 965 O ILE A 61 33.825 44.606 25.561 1.00 0.00 O ATOM 966 CB ILE A 61 36.849 43.907 25.892 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.994 43.022 26.379 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.364 45.313 25.604 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.983 42.614 25.293 1.00 0.00 C ATOM 0 H ILE A 61 35.247 42.013 26.287 1.00 0.00 H new ATOM 0 HA ILE A 61 36.149 44.301 27.827 1.00 0.00 H new ATOM 0 HB ILE A 61 36.455 43.481 24.969 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.534 43.549 27.166 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.575 42.122 26.828 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.180 45.261 24.883 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.556 45.920 25.195 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.725 45.765 26.528 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.762 41.987 25.727 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.460 42.057 24.516 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.435 43.506 24.859 1.00 0.00 H new ATOM 981 N GLN A 62 34.453 46.011 27.197 1.00 0.00 N ATOM 982 CA GLN A 62 33.385 46.981 27.064 1.00 0.00 C ATOM 983 C GLN A 62 33.946 48.399 26.932 1.00 0.00 C ATOM 984 O GLN A 62 35.154 48.599 27.030 1.00 0.00 O ATOM 985 CB GLN A 62 32.455 46.842 28.266 1.00 0.00 C ATOM 986 CG GLN A 62 31.747 45.491 28.315 1.00 0.00 C ATOM 987 CD GLN A 62 30.695 45.434 29.424 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.493 45.527 29.186 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.106 45.284 30.679 1.00 0.00 N ATOM 0 H GLN A 62 35.130 46.273 27.913 1.00 0.00 H new ATOM 0 HA GLN A 62 32.817 46.791 26.153 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.030 46.979 29.182 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.709 47.637 28.236 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.271 45.296 27.354 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.482 44.702 28.472 1.00 0.00 H new ATOM 0 HE21 GLN A 62 32.102 45.206 30.884 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.425 45.247 31.438 1.00 0.00 H new ATOM 998 N LYS A 63 33.090 49.398 26.734 1.00 0.00 N ATOM 999 CA LYS A 63 33.474 50.792 26.659 1.00 0.00 C ATOM 1000 C LYS A 63 34.328 51.241 27.846 1.00 0.00 C ATOM 1001 O LYS A 63 34.198 50.696 28.940 1.00 0.00 O ATOM 1002 CB LYS A 63 32.232 51.672 26.542 1.00 0.00 C ATOM 1003 CG LYS A 63 31.464 51.836 27.850 1.00 0.00 C ATOM 1004 CD LYS A 63 30.194 52.659 27.656 1.00 0.00 C ATOM 1005 CE LYS A 63 29.399 52.834 28.947 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.130 53.599 29.969 1.00 0.00 N ATOM 0 H LYS A 63 32.087 49.250 26.619 1.00 0.00 H new ATOM 0 HA LYS A 63 34.092 50.902 25.768 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.529 52.657 26.181 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.566 51.245 25.792 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.205 50.854 28.246 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.102 52.320 28.589 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.459 53.640 27.262 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.564 52.176 26.909 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.460 53.340 28.724 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.145 51.853 29.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.507 53.774 30.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.962 53.057 30.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.439 54.507 29.568 1.00 0.00 H new ATOM 1020 N GLU A 64 35.161 52.259 27.649 1.00 0.00 N ATOM 1021 CA GLU A 64 35.949 52.910 28.676 1.00 0.00 C ATOM 1022 C GLU A 64 36.966 52.005 29.375 1.00 0.00 C ATOM 1023 O GLU A 64 37.569 52.386 30.376 1.00 0.00 O ATOM 1024 CB GLU A 64 34.997 53.629 29.627 1.00 0.00 C ATOM 1025 CG GLU A 64 35.578 54.833 30.364 1.00 0.00 C ATOM 1026 CD GLU A 64 34.497 55.459 31.248 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.604 56.147 30.708 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.516 55.229 32.476 1.00 0.00 O ATOM 0 H GLU A 64 35.307 52.666 26.725 1.00 0.00 H new ATOM 0 HA GLU A 64 36.598 53.644 28.197 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.127 53.959 29.059 1.00 0.00 H new ATOM 0 HB3 GLU A 64 34.641 52.911 30.366 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.428 54.525 30.973 1.00 0.00 H new ATOM 0 HG3 GLU A 64 35.948 55.567 29.648 1.00 0.00 H new ATOM 1035 N SER A 65 37.173 50.791 28.874 1.00 0.00 N ATOM 1036 CA SER A 65 38.053 49.804 29.468 1.00 0.00 C ATOM 1037 C SER A 65 39.510 50.013 29.052 1.00 0.00 C ATOM 1038 O SER A 65 39.783 50.420 27.925 1.00 0.00 O ATOM 1039 CB SER A 65 37.620 48.385 29.108 1.00 0.00 C ATOM 1040 OG SER A 65 36.273 48.156 29.454 1.00 0.00 O ATOM 0 H SER A 65 36.719 50.463 28.021 1.00 0.00 H new ATOM 0 HA SER A 65 37.980 49.936 30.548 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.756 48.222 28.039 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.257 47.666 29.624 1.00 0.00 H new ATOM 0 HG SER A 65 35.700 48.342 28.681 1.00 0.00 H new ATOM 1046 N THR A 66 40.441 49.689 29.945 1.00 0.00 N ATOM 1047 CA THR A 66 41.860 49.626 29.658 1.00 0.00 C ATOM 1048 C THR A 66 42.264 48.199 29.283 1.00 0.00 C ATOM 1049 O THR A 66 41.856 47.242 29.939 1.00 0.00 O ATOM 1050 CB THR A 66 42.682 50.164 30.825 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.504 51.559 30.934 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.188 49.970 30.679 1.00 0.00 C ATOM 0 H THR A 66 40.217 49.458 30.913 1.00 0.00 H new ATOM 0 HA THR A 66 42.070 50.266 28.801 1.00 0.00 H new ATOM 0 HB THR A 66 42.327 49.602 31.689 1.00 0.00 H new ATOM 0 HG1 THR A 66 43.033 51.898 31.686 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.694 50.381 31.552 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.412 48.906 30.597 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.536 50.484 29.783 1.00 0.00 H new ATOM 1060 N LEU A 67 43.105 48.055 28.263 1.00 0.00 N ATOM 1061 CA LEU A 67 43.934 46.895 28.008 1.00 0.00 C ATOM 1062 C LEU A 67 45.382 47.203 28.397 1.00 0.00 C ATOM 1063 O LEU A 67 45.844 48.330 28.231 1.00 0.00 O ATOM 1064 CB LEU A 67 43.849 46.504 26.535 1.00 0.00 C ATOM 1065 CG LEU A 67 42.485 46.001 26.070 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.506 45.747 24.566 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.130 44.689 26.764 1.00 0.00 C ATOM 0 H LEU A 67 43.228 48.784 27.560 1.00 0.00 H new ATOM 0 HA LEU A 67 43.577 46.058 28.608 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.124 47.368 25.930 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.590 45.729 26.339 1.00 0.00 H new ATOM 0 HG LEU A 67 41.747 46.763 26.318 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.528 45.388 24.244 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.743 46.674 24.044 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.262 44.997 24.334 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.154 44.347 26.419 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.883 43.937 26.527 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.099 44.845 27.842 1.00 0.00 H new ATOM 1079 N HIS A 68 46.119 46.199 28.864 1.00 0.00 N ATOM 1080 CA HIS A 68 47.529 46.325 29.173 1.00 0.00 C ATOM 1081 C HIS A 68 48.376 45.697 28.064 1.00 0.00 C ATOM 1082 O HIS A 68 48.144 44.551 27.682 1.00 0.00 O ATOM 1083 CB HIS A 68 47.807 45.722 30.547 1.00 0.00 C ATOM 1084 CG HIS A 68 47.068 46.427 31.650 1.00 0.00 C ATOM 1085 ND1 HIS A 68 45.912 45.968 32.282 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.409 47.639 32.192 1.00 0.00 C ATOM 1087 CE1 HIS A 68 45.553 46.917 33.148 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.444 47.922 33.138 1.00 0.00 N ATOM 0 H HIS A 68 45.744 45.267 29.038 1.00 0.00 H new ATOM 0 HA HIS A 68 47.809 47.377 29.217 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.525 44.669 30.541 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.878 45.764 30.748 1.00 0.00 H new ATOM 0 HD2 HIS A 68 48.261 48.250 31.932 1.00 0.00 H new ATOM 0 HE1 HIS A 68 44.670 46.882 33.769 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.413 48.753 33.729 1.00 0.00 H new ATOM 1096 N LEU A 69 49.355 46.446 27.565 1.00 0.00 N ATOM 1097 CA LEU A 69 50.327 46.003 26.587 1.00 0.00 C ATOM 1098 C LEU A 69 51.635 45.617 27.280 1.00 0.00 C ATOM 1099 O LEU A 69 52.125 46.332 28.152 1.00 0.00 O ATOM 1100 CB LEU A 69 50.487 47.091 25.529 1.00 0.00 C ATOM 1101 CG LEU A 69 51.537 46.842 24.449 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.290 45.574 23.638 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.559 47.992 23.447 1.00 0.00 C ATOM 0 H LEU A 69 49.493 47.417 27.846 1.00 0.00 H new ATOM 0 HA LEU A 69 49.988 45.102 26.076 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.523 47.236 25.041 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.732 48.025 26.035 1.00 0.00 H new ATOM 0 HG LEU A 69 52.478 46.746 24.991 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.075 45.462 22.890 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.296 44.710 24.303 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.322 45.643 23.141 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.314 47.796 22.685 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.581 48.082 22.974 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.798 48.921 23.965 1.00 0.00 H new ATOM 1115 N VAL A 70 52.177 44.472 26.876 1.00 0.00 N ATOM 1116 CA VAL A 70 53.440 43.893 27.286 1.00 0.00 C ATOM 1117 C VAL A 70 54.209 43.502 26.022 1.00 0.00 C ATOM 1118 O VAL A 70 53.590 43.148 25.021 1.00 0.00 O ATOM 1119 CB VAL A 70 53.179 42.705 28.207 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.466 42.045 28.695 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.394 43.126 29.447 1.00 0.00 C ATOM 0 H VAL A 70 51.699 43.880 26.196 1.00 0.00 H new ATOM 0 HA VAL A 70 54.044 44.603 27.851 1.00 0.00 H new ATOM 0 HB VAL A 70 52.610 41.997 27.605 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.220 41.206 29.346 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.037 41.685 27.839 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.061 42.772 29.248 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.224 42.257 30.083 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.961 43.875 30.000 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.435 43.547 29.145 1.00 0.00 H new ATOM 1131 N LEU A 71 55.535 43.604 26.017 1.00 0.00 N ATOM 1132 CA LEU A 71 56.338 43.514 24.815 1.00 0.00 C ATOM 1133 C LEU A 71 57.263 42.294 24.796 1.00 0.00 C ATOM 1134 O LEU A 71 57.723 41.830 25.837 1.00 0.00 O ATOM 1135 CB LEU A 71 57.126 44.802 24.592 1.00 0.00 C ATOM 1136 CG LEU A 71 56.364 46.086 24.271 1.00 0.00 C ATOM 1137 CD1 LEU A 71 55.349 45.921 23.145 1.00 0.00 C ATOM 1138 CD2 LEU A 71 55.652 46.718 25.462 1.00 0.00 C ATOM 0 H LEU A 71 56.084 43.754 26.864 1.00 0.00 H new ATOM 0 HA LEU A 71 55.641 43.379 23.988 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.718 44.985 25.488 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.828 44.622 23.777 1.00 0.00 H new ATOM 0 HG LEU A 71 57.161 46.758 23.953 1.00 0.00 H new ATOM 0 HD11 LEU A 71 54.844 46.871 22.969 1.00 0.00 H new ATOM 0 HD12 LEU A 71 55.862 45.609 22.235 1.00 0.00 H new ATOM 0 HD13 LEU A 71 54.615 45.166 23.425 1.00 0.00 H new ATOM 0 HD21 LEU A 71 55.138 47.624 25.140 1.00 0.00 H new ATOM 0 HD22 LEU A 71 54.926 46.014 25.867 1.00 0.00 H new ATOM 0 HD23 LEU A 71 56.382 46.969 26.231 1.00 0.00 H new ATOM 1150 N ARG A 72 57.589 41.793 23.608 1.00 0.00 N ATOM 1151 CA ARG A 72 58.640 40.831 23.347 1.00 0.00 C ATOM 1152 C ARG A 72 59.933 41.510 22.889 1.00 0.00 C ATOM 1153 O ARG A 72 59.982 42.732 22.765 1.00 0.00 O ATOM 1154 CB ARG A 72 58.156 39.772 22.360 1.00 0.00 C ATOM 1155 CG ARG A 72 56.933 38.992 22.834 1.00 0.00 C ATOM 1156 CD ARG A 72 56.680 37.804 21.911 1.00 0.00 C ATOM 1157 NE ARG A 72 55.563 36.989 22.390 1.00 0.00 N ATOM 1158 CZ ARG A 72 54.350 36.870 21.833 1.00 0.00 C ATOM 1159 NH1 ARG A 72 54.011 37.475 20.687 1.00 0.00 N ATOM 1160 NH2 ARG A 72 53.402 36.130 22.422 1.00 0.00 N ATOM 0 H ARG A 72 57.096 42.067 22.758 1.00 0.00 H new ATOM 0 HA ARG A 72 58.882 40.325 24.282 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.921 40.255 21.412 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.969 39.071 22.168 1.00 0.00 H new ATOM 0 HG2 ARG A 72 57.088 38.643 23.855 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.059 39.644 22.849 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.467 38.162 20.904 1.00 0.00 H new ATOM 0 HD3 ARG A 72 57.579 37.191 21.848 1.00 0.00 H new ATOM 0 HE ARG A 72 55.726 36.452 23.242 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.690 38.058 20.198 1.00 0.00 H new ATOM 0 HH12 ARG A 72 53.074 37.353 20.304 1.00 0.00 H new ATOM 0 HH21 ARG A 72 53.601 35.652 23.301 1.00 0.00 H new ATOM 0 HH22 ARG A 72 52.481 36.044 21.992 1.00 0.00 H new ATOM 1174 N LEU A 73 60.991 40.730 22.693 1.00 0.00 N ATOM 1175 CA LEU A 73 62.345 41.201 22.483 1.00 0.00 C ATOM 1176 C LEU A 73 63.065 40.549 21.301 1.00 0.00 C ATOM 1177 O LEU A 73 63.626 41.250 20.463 1.00 0.00 O ATOM 1178 CB LEU A 73 63.092 40.978 23.796 1.00 0.00 C ATOM 1179 CG LEU A 73 64.561 41.390 23.805 1.00 0.00 C ATOM 1180 CD1 LEU A 73 64.741 42.894 23.613 1.00 0.00 C ATOM 1181 CD2 LEU A 73 65.199 40.991 25.132 1.00 0.00 C ATOM 0 H LEU A 73 60.920 39.713 22.676 1.00 0.00 H new ATOM 0 HA LEU A 73 62.315 42.256 22.210 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.576 41.527 24.583 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.030 39.920 24.052 1.00 0.00 H new ATOM 0 HG LEU A 73 65.043 40.878 22.972 1.00 0.00 H new ATOM 0 HD11 LEU A 73 65.803 43.138 23.627 1.00 0.00 H new ATOM 0 HD12 LEU A 73 64.312 43.193 22.656 1.00 0.00 H new ATOM 0 HD13 LEU A 73 64.236 43.427 24.419 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.248 41.287 25.135 1.00 0.00 H new ATOM 0 HD22 LEU A 73 64.679 41.490 25.950 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.126 39.911 25.261 1.00 0.00 H new ATOM 1193 N ARG A 74 63.092 39.222 21.219 1.00 0.00 N ATOM 1194 CA ARG A 74 63.971 38.488 20.331 1.00 0.00 C ATOM 1195 C ARG A 74 63.598 38.587 18.851 1.00 0.00 C ATOM 1196 O ARG A 74 64.480 38.494 18.000 1.00 0.00 O ATOM 1197 CB ARG A 74 64.112 37.037 20.784 1.00 0.00 C ATOM 1198 CG ARG A 74 65.230 36.782 21.790 1.00 0.00 C ATOM 1199 CD ARG A 74 64.982 37.334 23.191 1.00 0.00 C ATOM 1200 NE ARG A 74 66.126 37.097 24.071 1.00 0.00 N ATOM 1201 CZ ARG A 74 66.185 36.316 25.159 1.00 0.00 C ATOM 1202 NH1 ARG A 74 65.203 35.482 25.523 1.00 0.00 N ATOM 1203 NH2 ARG A 74 67.270 36.327 25.946 1.00 0.00 N ATOM 0 H ARG A 74 62.490 38.621 21.781 1.00 0.00 H new ATOM 0 HA ARG A 74 64.944 38.975 20.406 1.00 0.00 H new ATOM 0 HB2 ARG A 74 63.168 36.716 21.224 1.00 0.00 H new ATOM 0 HB3 ARG A 74 64.284 36.413 19.907 1.00 0.00 H new ATOM 0 HG2 ARG A 74 65.392 35.707 21.864 1.00 0.00 H new ATOM 0 HG3 ARG A 74 66.151 37.217 21.403 1.00 0.00 H new ATOM 0 HD2 ARG A 74 64.783 38.404 23.132 1.00 0.00 H new ATOM 0 HD3 ARG A 74 64.093 36.867 23.615 1.00 0.00 H new ATOM 0 HE ARG A 74 66.986 37.587 23.826 1.00 0.00 H new ATOM 0 HH11 ARG A 74 64.354 35.417 24.961 1.00 0.00 H new ATOM 0 HH12 ARG A 74 65.304 34.911 26.362 1.00 0.00 H new ATOM 0 HH21 ARG A 74 68.059 36.933 25.719 1.00 0.00 H new ATOM 0 HH22 ARG A 74 67.307 35.730 26.772 1.00 0.00 H new ATOM 1217 N GLY A 75 62.326 38.816 18.536 1.00 0.00 N ATOM 1218 CA GLY A 75 61.828 39.079 17.201 1.00 0.00 C ATOM 1219 C GLY A 75 62.110 40.481 16.658 1.00 0.00 C ATOM 1220 O GLY A 75 61.850 40.725 15.480 1.00 0.00 O ATOM 0 H GLY A 75 61.587 38.822 19.239 1.00 0.00 H new ATOM 0 HA2 GLY A 75 62.264 38.349 16.519 1.00 0.00 H new ATOM 0 HA3 GLY A 75 60.750 38.916 17.195 1.00 0.00 H new ATOM 1224 N GLY A 76 62.643 41.383 17.477 1.00 0.00 N ATOM 1225 CA GLY A 76 63.148 42.684 17.084 1.00 0.00 C ATOM 1226 C GLY A 76 64.529 42.602 16.430 1.00 0.00 C ATOM 1227 O GLY A 76 65.538 42.832 17.131 1.00 0.00 O ATOM 1228 OXT GLY A 76 64.598 42.283 15.224 1.00 0.00 O ATOM 0 H GLY A 76 62.736 41.214 18.478 1.00 0.00 H new ATOM 0 HA2 GLY A 76 62.447 43.148 16.390 1.00 0.00 H new ATOM 0 HA3 GLY A 76 63.202 43.329 17.961 1.00 0.00 H new TER 1232 GLY A 76